56660-99-2

Basic information

• Product Name: 4-(p-Chlorophenyl)-1-[3-[2-(p-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-ol
• Synonyms: 4-(p-Chlorophenyl)-1-[3-[2-(p-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-ol;4-(p-Chlorophenyl)-1-[4,4-(ethylenebisoxy)-4-(p-fluorophenyl)butyl]-4-piperidinol
• CAS NO: 56660-99-2
• Molecular Formula: C₂₃H₂₇ClFNO₃
• Molecular Weight: 419.9168
• Mol File: 56660-99-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 549.1°Cat760mmHg
• Flash Point: 285.9°C
• Appearance: /
• Density: 1.246g/cm³
• Vapor Pressure: 6.83E-13mmHg at 25°C
• Refractive Index: 1.572
• PKA: 13.87±0.20(Predicted)
• CAS DataBase Reference: 4-(p-Chlorophenyl)-1-[3-[2-(p-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(p-Chlorophenyl)-1-[3-[2-(p-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-ol(56660-99-2)
• EPA Substance Registry System: 4-(p-Chlorophenyl)-1-[3-[2-(p-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-ol(56660-99-2)

Safety Data

• Hazardous Substances Data: 56660-99-2(Hazardous Substances Data)

Usage

Uses

4-(4-Chlorophenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-piperidinol is an intermediate used in the synthesis of O-(1-(4-Fluorophenyl)butan-1-one) Haloperidol (F596225), which is an impurity of Haloperidol (H103700), an antidyskinetic; antipsychotic.

InChI:InChI=1/C23H27ClFNO3/c24-20-6-2-18(3-7-20)22(27)11-14-26(15-12-22)13-1-10-23(28-16-17-29-23)19-4-8-21(25)9-5-19/h2-9,27H,1,10-17H2

Upstream product

• 3874-54-2 4-(4-fluorophenyl)-4-oxo-n-butyl chloride 
• 847025-05-2 3-[2-(4-fluorophenyl)-[1,3]dioxolan-2-yl]propionic acid methyl ester 
• 39512-49-7 4-(4-chlorophenyl)-4-hydroxypiperidine 
• 3308-94-9 4-chloro-1-(4-fluorophenyl)-1,1-(ethylenedioxy)butane 
• 847025-06-3 3-[2-(4-fluorophenyl)-[1,3]dioxolan-2-yl]propionaldehyde 

Downstream Products

• 52-86-8 haloperidol 

Relevant articles and documents

Stetter reaction in room temperature ionic liquids and application to the synthesis of haloperidol

Imidazolium-type room temperature ionic liquids (RTILs) have been used for the Stetter reaction, affording the desired 1,4-dicarbonyl compounds in good yields. Thiazolium salts and Et3N are efficient catalysts for this reaction performed in ionic liquid. The possibility to recycle and reuse the solvent has been demonstrated, although it was not possible to recycle the thiazolium catalyst. This method was used in the total synthesis of haloperidol.

The synthesis of [14C]-labelled haloperidol and [d4]- and [d8] haloperidol

The synthesis of [14C] haloperidol for use in metabolism studies, and the synthesis of [d4]- and [d8] haloperidol for use in bioavailability studies, is described.